2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

• ChemBase ID: 712288
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(Cc1nc(sc1)c1ccccc1)C
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(Cc1csc(n1)c1ccccc1)C
• InChI: InChI=1S/C19H19N3O3S/c1-21(17(23)12-22-10-6-9-16(25-2)19(22)24)11-15-13-26-18(20-15)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
• InChIKey: MBFZZXZZANUUQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(3-methoxy-2-oxopyridin-1-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• Synonyms: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.262583
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.714334
• LogD (pH = 7.4): 1.7144405
• Log P: 1.7144419
• Molar Refractivity: 111.7612 cm^3
• Polarizability: 38.699684 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.06
• LOG S: -3.65
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 6